Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38768
- Core Entity Id
- 67742
- Source Entity Count
- 1
- Preferred Name
- 15-o-methylneovibsanin f
- Name En
- Pubchem Id
- 11154655
- Smiles Canonical
- CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(C)(C)OC)C)C
- Molecular Formula
- C26H38O5
- Molecular Weight
- 430.5850
- Inchikey
- GTMBXTBPXJSKGF-RBVMSYSJSA-N
- Inchi
- InChI=1S/C26H38O5/c1-16(2)12-23(28)30-11-9-21-24-19(15-31-22(24)13-17(3)27)18-14-26(21,6)10-8-20(18)25(4,5)29-7/h9,11-12,18,20-22H,8,10,13-15H2,1-7H3/b11-9+/t18-,20-,21+,22+,26+/m1/s1
- Isomeric Smiles
- CC(=CC(=O)O/C=C/[C@H]1C2=C(CO[C@H]2CC(=O)C)[C@H]3C[C@@]1(CC[C@H]3C(C)(C)OC)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.1614
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
15-O-Methylneovibsanin F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
15-O-Methylneovibsanin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15-o-methylneovibsanin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
15-o-methylneovibsanin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本荚蒾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN JIA MI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Viburnum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15-o-methyl-14-epi-neovibsanin f
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本荚蒾RI BEN JIA MIJapanese Viburnum15-o-methyl-14-epi-neovibsanin f
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001713HBIN001710
Npass
NPC275593
Tcmid
1439214607
Pub Chem
11154655
Tcmbank
TCMBANKIN006733TCMBANKIN058733
Etcm Ingredient
15-O-Methylneovibsanin F
Itcmdb Generated
ITX-INGREDIENT-02830FD449D2ITX-INGREDIENT-A62D5CFF9F37
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H38O5/c1-16(2)12-23(28)30-11-9-21-24-19(15-31-22(24)13-17(3)27)18-14-26(21,6)10-8-20(18)25(4,5)29-7/h9,11-12,18,20-22H,8,10,13-15H2,1-7H3/b11-9+/t18-,20-,21+,22+,26+/m1/s1
Mol Wt
430.5850000000003
Smiles
CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(C)(C)OC)C)C
Mol Log P
5.161400000000006
In Ch Ikey
GTMBXTBPXJSKGF-RBVMSYSJSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/14615.mol2
Reference
2530
Num Hdonors
0
Tcm Name En
Japanese Viburnum
Drug Likeness
0.242
Num Hacceptors
5
Isomeric Smiles
CC(=CC(=O)O/C=C/[C@H]1C2=C(CO[C@H]2CC(=O)C)[C@H]3C[C@@]1(CC[C@H]3C(C)(C)OC)C)C
Canonical Smiles
CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(C)(C)OC)C)C
Molecular Weight
430.270
Molecular Weight
430.6 g/mol
Molecular Formula
C26H38O5
Molecular Formula
C26H38O5
Molecular Formula
C26H38O5
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.965
Quantitative Estimate Of Drug Likeness（Qed）
0.242